3-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid Traditional Name: 3-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]valeric acid Formula: C11H18N4O3 MolecularWeight: 254.28562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C)N1C=NC=N1

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(C)N1C=NC=N1

InChI

InChI=1S/C11H18N4O3/c1-4-7(2)9(11(17)18)14-10(16)8(3)15-6-12-5-13-15/h5-9H,4H2,1-3H3,(H,14,16)(H,17,18)